/// <summary>
/// Initialize the Preview Query and associated QueryManager and Grid View
/// </summary>
public void InitializeView()
{
if (SwQuery != null)
{
return;
}
SwQuery = BuildStructureSearchQuery();
DataTableMx dt = DataTableManager.BuildDataTable(SwQuery);
Qm = ToolHelper.SetupQueryManager(SwQuery, dt);
MoleculeGridPageControl mgpc = MoleculeGridPageControl;
ToolHelper.SetupGridPanelForDisplay(Qm, mgpc.MoleculeGridPanel);
MoleculeGridControl grid = mgpc.MoleculeGrid;
if (grid != null && grid.GV != null)
{
grid.GV.IndicatorWidth = 40; // narrow indicator col a bit
}
ClearDataAndGrid();
return;
}
public CriteriaStructurePreview()
{
if (SystemUtil.InDesignMode)
{
InitializeComponent();
return;
}
MoleculeGridPageControl.RemoveToolPanelInConstructor = false; // keep tool panel and properly layout of controls
InitializeComponent();
MoleculeGridPageControl.RemoveToolPanelInConstructor = true;
MoleculeGridPageControl mgpc = MoleculeGridPageControl;
mgpc.EditQueryButton.Visible = false;
//PreviewCtl.MarkDataButton.Visible = false;
mgpc.FormattingButton.Visible = false;
mgpc.AdjustToolPanelButtonSpacing();
mgpc.Dock = DockStyle.Fill;
Timer = new System.Windows.Forms.Timer();
Timer.Tick += new System.EventHandler(Timer_Tick);
return;
}
/// <summary>
/// Allocate a new MoleculeGridPageControl
/// and link into any associated QueryResultsContol
/// </summary>
/// <param name="qm"></param>
/// <param name="container"></param>
/// <returns></returns>
public static MoleculeGridPageControl AllocateNewMoleculeGridPageControl(
QueryManager qm,
Control container)
{
QueryResultsControl qrc = null;
PopupGrid pug = null;
MoleculeGridPageControl page;
MoleculeGridPanel panel;
MoleculeGridControl grid;
Query q = qm.Query;
ResultsFormat rf = qm.ResultsFormat;
page = new MoleculeGridPageControl(); // Create a new, clean page, panel and grids
panel = page.MoleculeGridPanel;
grid = panel.SelectBaseGridViewGrid(qm);
qm.LinkMember(grid); // link grid into qm
grid.ShowCheckMarkCol = q.ShowGridCheckBoxes;
if (container is QueryResultsControl && rf.NotPopupOutputFormContext) // normal query results
{
qrc = container as QueryResultsControl;
qrc.RemoveExistingControlsFromResultsPageControlContainer(); // properly dispose of any existing DevExpress controls
qrc.MoleculeGridPageControl = page; // link query results to this page
qrc.ResultsPageControlContainer.Controls.Add(page);
page.Dock = DockStyle.Fill;
}
return(page);
}
/// <summary>
/// Clear any pointers to UI resources (e.g. forms, controls)
/// </summary>
public override void FreeControlReferences()
{
GridPageControl = null;
base.FreeControlReferences();
return;
}
/// <summary>
/// Build the Query, QueryManager and DataTable for the matching structure display
/// </summary>
public void BuildStructureDisplayQuery()
{
MetaTable mt = MetaTableCollection.Get("QuickSearchRelatedStructures");
if (mt == null)
{
DebugLog.Message("QuickSearchRelatedStructures MetaTable not found");
RSC.MoleculeGridPageControl.Visible = false;
return;
}
Query q = ToolHelper.InitEmbeddedDataToolQuery(mt);
QueryTable qt = q.Tables[0];
q.UserObject.Name = qt.MetaTable.Label;
StructureDisplayQuery = q;
QueryColumn qc = qt.FirstStructureQueryColumn;
if (qc != null) // setup dummy criteria
{
ParsedStructureCriteria pssc = new ParsedStructureCriteria();
pssc.SearchType = StructureSearchType.FullStructure; // just full structure search for now
pssc.Molecule = new MoleculeMx(MoleculeFormat.Smiles, "C"); // placeholder structure
pssc.ConvertToQueryColumnCriteria(qc);
qc.DisplayFormatString = "Highlight=true;Align=true";
}
string title = "Related Structures";
qt.Label = title;
DataTableMx dt = q.ResultsDataTable as DataTableMx;
Qm = ToolHelper.SetupQueryManager(q, dt);
MoleculeGridPageControl mgpc = RSC.MoleculeGridPageControl;
MoleculeGridPanel gp = mgpc.MoleculeGridPanel;
mgpc.Width = RSC.Width - 3; // be sure we have page control correctly sized
mgpc.Height = RSC.Height - mgpc.Top - 3;
ToolHelper.SetupGridPanelForDisplay(Qm, mgpc.MoleculeGridPanel, true, true);
MoleculeGridControl grid = mgpc.MoleculeGrid;
if (grid != null && grid.GV != null)
{
grid.GV.IndicatorWidth = 40; // narrow indicator a bit
}
//ToolHelper.DisplayData // build and display empty grid for query with columns scaled to fit the grid
// (q, dt, RSC.MoleculeGridPageControl.MoleculeGridPanel, true, true);
return;
}
/// <summary>
/// Create the view display controls and link them into the QueryResultsControl and the ResultsView object
/// </summary>
/// <returns></returns>
public override Control AllocateRenderingControl()
{
GridPageControl = new MoleculeGridPageControl();
GridPanel.View = this; // link the grid control panel to this view
GridPanel.BandedViewGrid.Visible = false; // initially hidden
GridPanel.LayoutViewGrid.Visible = false; // initially hidden
GridPanel.Dock = DockStyle.Fill; // dock full grid panel
RenderingControl = GridPanel;
ConfigureCount = 0;
return(RenderingControl);
}
/// <summary>
/// Dispose
/// </summary>
public new void Dispose()
{
ResultsPage = null;
PageControl = null;
View = null;
Grid = null;
if (LayoutViewGrid != null)
{
LayoutViewGrid.Dispose();
}
if (BandedViewGrid != null)
{
BandedViewGrid.Dispose();
}
base.Dispose();
return;
}
/// <summary>
/// Setup/format a MoleculeGridPanel/MoleculeGrid for display of results for the supplied QueryManager
/// </summary>
/// <param name="qm"></param>
/// <param name="gridPanel"></param>
/// <param name="embedDataInQuery"></param>
/// <param name="fitDataToGridWidth"></param>
public static void SetupGridPanelForDisplay(
QueryManager qm,
MoleculeGridPanel gridPanel,
bool embedDataInQuery = false,
bool fitDataToGridWidth = false)
{
MoleculeGridControl grid = null;
bool displayAsNormalQueryResults = (gridPanel == null); // if grid panel not defined assume display is in normal results panel
//bool displayAsPopupGrid = (gridPanel != null && gridPanel.Parent is PopupGrid); // display in popup grid
Query q = qm.Query;
q.SetupQueryPagesAndViews(); // be sure we have a default view page
if (embedDataInQuery)
{ // no database behind this table so persist within the query
MetaTable mt = q.Tables[0].MetaTable; // assume just one metatable
foreach (MetaColumn mc in mt.MetaColumns) // no criteria allowed
{
mc.IsSearchable = false;
}
q.SerializeMetaTablesWithQuery = true; // if no broker then save the metatable definition
q.SerializeResultsWithQuery = true; // also save results when saving the query
q.BrowseSavedResultsUponOpen = true; // open the results when the query is opened
q.ResultsDataTable = qm.DataTable; // point the query to this results table
}
ResultsFormatFactory rff = new ResultsFormatFactory(qm, OutputDest.WinForms);
rff.Build(); // build format
ResultsFormatter fmtr = new ResultsFormatter(qm); // and formatter
if (displayAsNormalQueryResults)
{
MoleculeGridPageControl mgpc = MoleculeGridPanel.AllocateNewMoleculeGridPageControl(qm, SessionManager.Instance.QueryResultsControl);
gridPanel = mgpc.MoleculeGridPanel;
//gridPanel = SessionManager.Instance.QueryResultsControl.MoleculeGridPageControl.MoleculeGridPanel; // (old)
QbUtil.AddQuery(qm.Query); // add to the list of visible queries
QueriesControl.Instance.CurrentBrowseQuery = qm.Query; // make it current
}
grid = gridPanel.SelectBaseGridViewGrid(qm);
//if (qm.ResultsFormat.UseBandedGridView)
// grid = gridPanel.BandedViewGrid;
//else grid = gridPanel.LayoutViewGrid;
qm.MoleculeGrid = grid;
grid.QueryManager = qm;
DataTableMx dt = qm.DataTable; // save ref to data table
grid.DataSource = null; // clear source for header build
if (fitDataToGridWidth && grid.BGV != null)
{
grid.BGV.OptionsView.ColumnAutoWidth = true; // set view for auto width to fit within view
}
grid.FormatGridHeaders(qm.ResultsFormat);
qm.DataTable = dt; // restore data table
qm.DataTableManager.SetResultsKeysFromDatatable(); // set the results keys
//if (displayAsNormalQueryResults)
// QbUtil.SetMode(QueryMode.Browse); // put into browse mode (need this?)
//else if (displayAsPopupGrid) // obsolete
//{
// PopupGrid pug = gridPanel.Parent as PopupGrid;
// pug.Initialize(qm); // be sure popup is initialized
// pug.Show();
//}
//gridPanel.Visible = true;
//grid.Visible = true;
//grid.DataSource = qm.DataTable; // set the datasource for the grid to the datatable
//RefreshDataDisplay(qm);
return;
}
/// <summary>
/// Display the related counts
/// </summary>
/// <param name="rss"></param>
///
public void DisplayRelatedCidCounts(
RelatedStructureSearchResults rss)
{
int altCnt, mmpCnt, swCnt, simCnt, allMatchCnt;
//MoleculeGridPageControl.Width = this.Width - 3;
//MoleculeGridPageControl.Height = this.Height - MoleculeGridPageControl.Top - 3;
MoleculeGridPageControl mgpc = MoleculeGridPageControl;
if (mgpc.EditQueryButton.Visible) // adjust tool panel for proper display
{
mgpc.EditQueryButton.Visible = false;
//mgpc.MarkDataButton.Visible = false;
mgpc.FormattingButton.Visible = false;
mgpc.AdjustToolPanelButtonSpacing();
}
if (rss == null)
{
DisplayEmptyCidCountsGrid();
return;
}
altCnt = SetRelatedCidCount(AltForms, SumByDb(rss.AltCorpDbCnt, rss.AltChemblCnt)); // alternate forms
mmpCnt = SetRelatedCidCount(MatchedPairs, SumByDb(rss.MmpCorpDbCnt, rss.MmpChemblCnt)); // matched pairs, no ChEMBL for now
if (SmallWorldAvailable)
{
swCnt = SetRelatedCidCount(SmallWorld, SumByDb(rss.SwCorpDbCnt, rss.SwChemblCnt)); // SmallWorld
}
else
{
SmallWorld.Checked = false;
if (MatchCountsPanel.RowCount == 5) // remove SmallWorld from the MatchCountsPanel
{
MatchCountsPanel.SetRow(labelControl3, 2);
MatchCountsPanel.SetRow(SimilarStructure, 2);
MatchCountsPanel.SetRow(labelControl6, 3);
MatchCountsPanel.SetRow(AllMatches, 3);
MatchCountsPanel.SetRow(SmallWorldLabel, 4);
MatchCountsPanel.SetRow(SmallWorld, 4);
SmallWorldLabel.Visible = SmallWorld.Visible = false;
SmallWorld.Checked = false;
MatchCountsPanel.RowCount = 4;
}
swCnt = 0;
}
simCnt = SetRelatedCidCount(SimilarStructure, SumByDb(rss.SimCorpDbCnt, rss.SimChemblCnt)); // similar
allMatchCnt = SetRelatedCidCount(AllMatches, altCnt + mmpCnt + swCnt + simCnt); // total
SetRelatedCidCount(CorpDB, rss.CorpDbCnt); // these values don't change during life of search results
SetRelatedCidCount(ChemblDB, rss.ChemblCnt);
return;
}
/// <summary>
/// Format grid and show the data
/// </summary>
/// <param name="qm"></param>
/// <param name="container">Either a QueryResultsControl or a PopupGrid</param>
public static void ConfigureAndShow(
QueryManager qm,
Control container)
{
QueryResultsControl qrc = null;
PopupGrid pug = null;
MoleculeGridPageControl page;
MoleculeGridPanel panel;
MoleculeGridControl grid;
Query q = qm.Query;
ResultsFormat rf = qm.ResultsFormat;
//qm.QueryResultsControl = null;
page = new MoleculeGridPageControl(); // Create a new, clean page, panel and grids
panel = page.MoleculeGridPanel;
grid = panel.SelectBaseGridViewGrid(qm);
qm.LinkMember(grid); // link grid into qm
grid.ShowCheckMarkCol = q.ShowGridCheckBoxes;
DataTableMx dt = qm.DataTable; // save ref to data table
grid.DataSource = null; // clear source for header build
qm.DataTable = dt; // restore data table
grid.FormatGridHeaders(qm.ResultsFormat); // qm.MoleculeGrid.V.Columns.Count should be set for proper cols
if (container is QueryResultsControl && rf.NotPopupOutputFormContext) // normal query results
{
qrc = container as QueryResultsControl;
qrc.RemoveExistingControlsFromResultsPageControlContainer(); // properly dispose of any existing DevExpress controls
qrc.MoleculeGridPageControl = page; // link query results to this page
qrc.ResultsPageControlContainer.Controls.Add(page);
page.Dock = DockStyle.Fill;
//qm.QueryResultsControl = qrc; // link view set into query manager (used for filtering)
if (q.Parent == null) // switch display to browse mode if root query
{
QbUtil.SetMode(QueryMode.Browse, q);
}
if (rf.Query.LogicType == QueryLogicType.And) // log grid query by logic type
{
UsageDao.LogEvent("QueryGridAnd", "");
}
else if (rf.Query.LogicType == QueryLogicType.Or)
{
UsageDao.LogEvent("QueryGridOr", "");
}
else if (rf.Query.LogicType == QueryLogicType.Complex)
{
UsageDao.LogEvent("QueryGridComplex", "");
}
}
else if (container is PopupGrid || rf.PopupOutputFormContext) // popup results
{
if (container is PopupGrid)
{
pug = container as PopupGrid;
}
else // create a popup
{
pug = new PopupGrid(qm);
pug.Text = q.UserObject.Name;
}
if (pug.Controls.ContainsKey(panel.Name)) // remove any existing panel control
{
pug.Controls.RemoveByKey(panel.Name);
}
pug.Controls.Add(panel);
pug.MoleculeGridPanel = panel; // restore direct link as well
grid.ScaleView(q.ViewScale);
UIMisc.PositionPopupForm(pug);
pug.Text = q.UserObject.Name;
pug.Show();
}
else
{
throw new Exception("Invalid container type: " + container.GetType());
}
// Set the DataSource to the real DataTable
panel.SetDataSource(qm, dt);
return;
}
